2,3,4,5-Tetrabromo-6-[(4-hydroxyphenyl)-(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonic acid

Base Information

• Chemical Name: 2,3,4,5-Tetrabromo-6-[(4-hydroxyphenyl)-(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonic acid
• CAS No.: 77172-72-6
• Deprecated CAS: 123333-63-1,128915-86-6
• Molecular Formula: C19H10Br4O5S
• Molecular Weight: 669.967
• Hs Code.: 38220090
• NSC Number: 624919
• DSSTox Substance ID: DTXSID90924463
• Nikkaji Number: J1.390.182A
• Mol file: 77172-72-6.mol

Synonyms:3,4,5,6-tetrabromophenolsulfonephthalein;3456-TBSP;tetrabromosulfonephthalein

Chemical Property of 2,3,4,5-Tetrabromo-6-[(4-hydroxyphenyl)-(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonic acid

Chemical Property:

• Vapor Pressure: 5.03E-20mmHg at 25°C
• Melting Point: 270-271 °C
• Refractive Index: 1.743
• Boiling Point: 696.1 °C at 760 mmHg
• PKA: 7.88±0.50(Predicted)
• Flash Point: 374.8 °C
• PSA: 92.21000
• Density: 2.199 g/cm³
• LogP: 7.23940
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 669.69415
• Heavy Atom Count: 29
• Complexity: 821

Purity/Quality:

98%, ^*data from raw suppliers

3,4,5,6-Tetrabromophenolsulfonephthalein Dye content 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=O)C=CC1=C(C2=CC=C(C=C2)O)C3=C(C(=C(C(=C3Br)Br)Br)Br)S(=O)(=O)O

Technology Process of 2,3,4,5-Tetrabromo-6-[(4-hydroxyphenyl)-(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonic acid

There total 2 articles about 2,3,4,5-Tetrabromo-6-[(4-hydroxyphenyl)-(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

phenol (108-95-2,27073-41-2) → 4,5,6,7-tetrabromo-3,3-bis-(4-hydroxy-phenyl)-3H-benz[c][1,2]oxathiol-1,1-dioxide (77172-72-6,123333-63-1)

Guidance literature:

With tin(IV) chloride; at 130 - 140 ℃;

Reference yield:

→ 3',3'',3,4,5,6-hexabromophenolsulfonephthalein + 4,5,6,7-tetrabromo-3,3-bis-(4-hydroxy-phenyl)-3H-benz[c][1,2]oxathiol-1,1-dioxide (77172-72-6,123333-63-1)

Guidance literature:

upstream raw materials:

phenol

Refernces

• 1、 -. "Nitro or nitroso substituted polyhalogenated phenolsulfonephthaleins as protein indicators in biological samples". . . Retrieved 2008/06/13.